COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK116431
Chemical Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Smiles: O=C(Nc1nnc(s1)C)CCCN1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]

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Molecular Weight: 375.36
Empirical Formula: C15H13N5O5S

Physical State: Dry powder
Available Amount: 248 mg

Lipinsky:
logP: 1.385
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 166
Number of rings: 3

     

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